| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:12 UTC |
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| Update Date | 2025-03-21 18:32:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091256 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C13H23N3O9 |
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| Molecular Mass | 365.1434 |
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| SMILES | CC(=O)NC1C(NC(CC(N)C(=O)O)C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | IEMLSAQTNHWVNZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiaminalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidhemiaminalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsecondary aliphatic amineglutamic acid or derivativessecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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